methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate

C16H22N2O5 — CID 175501075

IUPACmethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OC2(NC(=O)OC(C)(C)C)CCC2)cn1
InChIInChI=1S/C16H22N2O5/c1-15(2,3)23-14(20)18-16(8-5-9-16)22-11-6-7-12(17-10-11)13(19)21-4/h6-7,10H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyIAGFZFQURIQXIM-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.65
Rot. Bonds4

About methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate

methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate (PubChem CID 175501075) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate
PubChem CID175501075
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OC2(NC(=O)OC(C)(C)C)CCC2)cn1
InChIInChI=1S/C16H22N2O5/c1-15(2,3)23-14(20)18-16(8-5-9-16)22-11-6-7-12(17-10-11)13(19)21-4/h6-7,10H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyIAGFZFQURIQXIM-UHFFFAOYSA-N
XLogP2.65
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate?
The IUPAC name of methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate (CID 175501075) is methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate is COC(=O)c1ccc(OC2(NC(=O)OC(C)(C)C)CCC2)cn1.
What is the InChIKey of methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate?
The InChIKey is IAGFZFQURIQXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-15(2,3)23-14(20)18-16(8-5-9-16)22-11-6-7-12(17-10-11)13(19)21-4/h6-7,10H,5,8-9H2,1-4H3,(H,18,20).
What are the key properties of methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate?
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylate is sourced from PubChem (CID 175501075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).